SCHEMBL8044905

SCHEMBL8044905

C=CC(=O)OCCCCCSc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
TSHR P16473 5/20 0.58
CYP3A4 P08684 2/20 0.58
THRB P10828 1/20 0.53
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
PTGS2 P35354 1/20 0.47
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16893706 1.00 ALDH1A1 (0.58) ALDH1A1TSHRCYP3A4THRBHDAC1
SCHEMBL16893737 1.00 ALDH1A1 (0.58) ALDH1A1TSHRCYP3A4THRBHDAC1
SCHEMBL16893860 1.00 ALDH1A1 (0.58) ALDH1A1TSHRCYP3A4THRBHDAC1
SCHEMBL16893874 1.00 ALDH1A1 (0.58) ALDH1A1TSHRCYP3A4THRBHDAC1
SCHEMBL16893936 1.00 ALDH1A1 (0.58) ALDH1A1TSHRCYP3A4THRBHDAC1
SCHEMBL8041634 0.98 ALDH1A1 (0.55) ALDH1A1TSHRCYP3A4THRBHDAC1
SCHEMBL5092623 0.94 THRB (0.55) ALDH1A1TSHRCYP3A4THRBHDAC1
SCHEMBL16893640 0.92 TSHR (0.51) ALDH1A1TSHRCYP3A4THRBHDAC1
SCHEMBL16893861 0.92 TSHR (0.51) ALDH1A1TSHRCYP3A4THRBHDAC1
SCHEMBL16893904 0.92 TSHR (0.51) ALDH1A1TSHRCYP3A4THRBHDAC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000079312-A1 HIGH REFRACTIVE INDEX COMPOSITIONS FOR OPHTHALMIC IMPLANTS BAUSCH & LOMB SURGICAL, INC. (US) 2000-12-28 WO claimed
US-10670796-B2 Organic-inorganic hybrid composition, optical member and optical device prepared using the same LMS CO., LTD. (KR) 2020-06-02 US disclosed
WO-2019151549-A1 HIGH REFRACTIVE INDEX ACRYLIC MONOMER AND PHOTOCURABLE COMPOSITION USING SAME 에스엠에스주식회사 2019-08-08 WO disclosed
US-20160070053-A1 ORGANIC-INORGANIC HYBRID COMPOSITION, OPTICAL MEMBER AND OPTICAL DEVICE PREPARED USING THE SAME LMS CO., LTD. (KR) 2016-03-10 US disclosed
US-20150198740-A1 ORGANIC-INORGANIC HYBRID COMPOSITION, PRODUCTION METHOD FOR SAME, AND OPTICAL SHEET AND OPTICAL DEVICE OF SAME CHANGKANG CHEMICAL CO., LTD. (KR) 2015-07-16 US disclosed
WO-2000079312-A1 HIGH REFRACTIVE INDEX COMPOSITIONS FOR OPHTHALMIC IMPLANTS BAUSCH & LOMB SURGICAL, INC. (US) 2000-12-28 WO disclosed